5,6-difluoro-1H-indole

C8H5F2N — CID 2778732

IUPAC5,6-difluoro-1H-indole
SMILESFc1cc2cc[nH]c2cc1F
InChIInChI=1S/C8H5F2N/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H
InChIKeyYCVSNMPGFSFANR-UHFFFAOYSA-N
MW153.13 g/mol
LogP2.45
Rot. Bonds

About 5,6-difluoro-1H-indole

5,6-difluoro-1H-indole (PubChem CID 2778732) has the molecular formula C8H5F2N and a molecular weight of 153.13 g/mol. Its IUPAC name is 5,6-difluoro-1H-indole.

Molecular Properties

Compound Name5,6-difluoro-1H-indole
PubChem CID2778732
Molecular FormulaC8H5F2N
Molecular Weight153.13 g/mol
Exact Mass153.04
IUPAC Name5,6-difluoro-1H-indole
SMILESFc1cc2cc[nH]c2cc1F
InChIInChI=1S/C8H5F2N/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H
InChIKeyYCVSNMPGFSFANR-UHFFFAOYSA-N
XLogP2.45
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-1H-indole?
The IUPAC name of 5,6-difluoro-1H-indole (CID 2778732) is 5,6-difluoro-1H-indole.
What is the SMILES notation for 5,6-difluoro-1H-indole?
The canonical SMILES for 5,6-difluoro-1H-indole is Fc1cc2cc[nH]c2cc1F.
What is the InChIKey of 5,6-difluoro-1H-indole?
The InChIKey is YCVSNMPGFSFANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2N/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H.
What are the key properties of 5,6-difluoro-1H-indole?
5,6-difluoro-1H-indole has a molecular weight of 153.13 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-1H-indole is sourced from PubChem (CID 2778732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).